SCHEMBL4462695

SCHEMBL4462695

[O-][n+]1cccc2c1C=Cc1ccccc1N=C2

nearest known ligand 0.37

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4795499 0.73 TRPA1 (0.50) TRPA1
SCHEMBL4795502 0.73 TRPA1 (0.50) TRPA1
Hydrochloric Acid SCHEMBL8007872 0.72 TRPA1 (0.48) TRPA1
Hydrochloric Acid SCHEMBL8007871 0.72 TRPA1 (0.48) TRPA1
SCHEMBL29633894 0.69
SCHEMBL9926021 0.69 TRPA1 (0.58) TRPA1
SCHEMBL15075855 0.69
SCHEMBL5050147 0.69 TRPA1 (0.58) TRPA1
SCHEMBL30691872 0.69 TRPA1 (0.58) TRPA1
SCHEMBL9926022 0.64 TRPA1 (0.58) TRPA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
US-20090291941-A1 Tyrosine Kinase Inhibitors MERCK SHARP & DOHME CORP. 2009-11-26 US disclosed
EP-1951249-A2 TYROSINE KINASE INHIBITORS Merck and Co., Inc. (US) 2008-08-06 EP disclosed
EP-1951249-A2 TYROSINE KINASE INHIBITORS Merck and Co., Inc. (US) 2008-08-06 EP disclosed
WO-2007050401-A3 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2007-11-15 WO disclosed
WO-2007050401-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed
WO-2007050401-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2007-05-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090291941-A1 Tyrosine Kinase Inhibitors ABL1, ERBB2, RET TRPA1 4139/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.